5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate
TL;DR: 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate (CAS 53370-45-9) is a chemical compound with molecular formula C10H21BO3 and molecular weight 200.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl)oxyboronic acid
Also Known As: Menthyl borate, DL-Menthyl borate, 5-methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate, (5-methyl-2-propan-2-ylcyclohexyl)oxyboronic acid, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, monoester with boric acid (H3BO3), (1R,2S,5R)-rel-
| Molecular Formula | C10H21BO3 |
|---|---|
| Molecular Weight | 200.16 g/mol |
| LogP | 1.43 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.15837 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 53370-45-9 |
|---|---|
| SMILES | B(O)(O)OC1CC(CCC1C(C)C)C |
| InChIKey | GNMGRDDGGNNGPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate (CAS 53370-45-9), with molecular formula C10H21BO3 and molecular weight 200.16 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl)oxyboronic acid.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate
Property Insights of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate
The XLogP value of 1.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate. With a topological polar surface area (TPSA) of 49.7 Ų, 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate?
The CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate is 53370-45-9.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate?
The molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate is C10H21BO3.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate?
The molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate is 200.16 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate?
You can request a quote for 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.